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Artificial Intelligence Applied to Battery Research: Hype or Reality?
Lombardo T, Duquesnoy M, El-Bouysidy H, Årén F, Gallo-Bueno A, Jørgensen PB, Bhowmik A, Demortière A, Ayerbe E, Alcaide F, Reynaud M, Carrasco J, Grimaud A, Zhang C, Vegge T, Johansson P, Franco AA. Lombardo T, et al. Among authors: zhang c. Chem Rev. 2022 Jun 22;122(12):10899-10969. doi: 10.1021/acs.chemrev.1c00108. Epub 2021 Sep 16. Chem Rev. 2022. PMID: 34529918 Free PMC article. Review.
Communication: Computing the Helmholtz capacitance of charged insulator-electrolyte interfaces from the supercell polarization.
Zhang C. Zhang C. J Chem Phys. 2018 Jul 21;149(3):031103. doi: 10.1063/1.5038639. J Chem Phys. 2018. PMID: 30037260
The net polarization of EDLs arising from the fixed chemical composition setup leads to uncompensated EDLs under periodic boundary condition and convolutes the calculation of the Helmholtz capacitance [C. Zhang and M. Sprik, Phys. Rev. B 94, 245309 (2016)]. Here we …
The net polarization of EDLs arising from the fixed chemical composition setup leads to uncompensated EDLs under periodic boundary condition …
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